N-methyl-N-(2-methylquinazolin-4-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-8-amine

C21H20N4O — CID 166634152

IUPACN-methyl-N-(2-methylquinazolin-4-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-8-amine
SMILESCc1nc(N(C)c2ccc3c(c2)cc2n3CCOC2)c2ccccc2n1
InChIInChI=1S/C21H20N4O/c1-14-22-19-6-4-3-5-18(19)21(23-14)24(2)16-7-8-20-15(11-16)12-17-13-26-10-9-25(17)20/h3-8,11-12H,9-10,13H2,1-2H3
InChIKeyNWIHTRFFKOHAAX-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.19
Rot. Bonds2

About N-methyl-N-(2-methylquinazolin-4-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-8-amine

N-methyl-N-(2-methylquinazolin-4-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-8-amine (PubChem CID 166634152) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is N-methyl-N-(2-methylquinazolin-4-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-8-amine.

Molecular Properties

Compound NameN-methyl-N-(2-methylquinazolin-4-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-8-amine
PubChem CID166634152
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC NameN-methyl-N-(2-methylquinazolin-4-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-8-amine
SMILESCc1nc(N(C)c2ccc3c(c2)cc2n3CCOC2)c2ccccc2n1
InChIInChI=1S/C21H20N4O/c1-14-22-19-6-4-3-5-18(19)21(23-14)24(2)16-7-8-20-15(11-16)12-17-13-26-10-9-25(17)20/h3-8,11-12H,9-10,13H2,1-2H3
InChIKeyNWIHTRFFKOHAAX-UHFFFAOYSA-N
XLogP4.19
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-(2-methylquinazolin-4-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylquinazolin-4-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-8-amine?
The IUPAC name of N-methyl-N-(2-methylquinazolin-4-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-8-amine (CID 166634152) is N-methyl-N-(2-methylquinazolin-4-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-8-amine.
What is the SMILES notation for N-methyl-N-(2-methylquinazolin-4-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-8-amine?
The canonical SMILES for N-methyl-N-(2-methylquinazolin-4-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-8-amine is Cc1nc(N(C)c2ccc3c(c2)cc2n3CCOC2)c2ccccc2n1.
What is the InChIKey of N-methyl-N-(2-methylquinazolin-4-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-8-amine?
The InChIKey is NWIHTRFFKOHAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-14-22-19-6-4-3-5-18(19)21(23-14)24(2)16-7-8-20-15(11-16)12-17-13-26-10-9-25(17)20/h3-8,11-12H,9-10,13H2,1-2H3.
What are the key properties of N-methyl-N-(2-methylquinazolin-4-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-8-amine?
N-methyl-N-(2-methylquinazolin-4-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-8-amine has a molecular weight of 344.42 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylquinazolin-4-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-8-amine is sourced from PubChem (CID 166634152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).